ChemSpider 2D Image | (2S)-3,3,4,4,4-Pentafluoro-2-methylbutanoic acid | C5H5F5O2

(2S)-3,3,4,4,4-Pentafluoro-2-methylbutanoic acid

  • Molecular FormulaC5H5F5O2
  • Average mass192.084 Da
  • Monoisotopic mass192.020966 Da
  • ChemSpider ID71103761

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2S)-3,3,4,4,4-Pentafluor-2-methylbutansäure [German] [ACD/IUPAC Name]
(2S)-3,3,4,4,4-Pentafluoro-2-methylbutanoic acid [ACD/IUPAC Name]
Acide (2S)-3,3,4,4,4-pentafluoro-2-méthylbutanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 3,3,4,4,4-pentafluoro-2-methyl-, (2S)- [ACD/Index Name]
2248209-84-7 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 150.7±35.0 °C at 760 mmHg
Vapour Pressure: 2.1±0.6 mmHg at 25°C
Enthalpy of Vaporization: 42.7±6.0 kJ/mol
Flash Point: 44.9±25.9 °C
Index of Refraction: 1.334
Molar Refractivity: 27.5±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.50
ACD/LogD (pH 5.5): -0.21
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.69
ACD/LogD (pH 7.4): -1.56
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 37 Å2
Polarizability: 10.9±0.5 10-24cm3
Surface Tension: 21.7±3.0 dyne/cm
Molar Volume: 133.4±3.0 cm3

Click to predict properties on the Chemicalize site


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